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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estradiol 17-beta-dehydrogenase 2' and Ligand = 'BDBM50515449'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)		BDBM50515449
PNG
(CHEMBL4470668)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cc(NS(=O)(=O)c3ccc(cc3)C#N)c(F)cc2F)c1F
Show InChI InChI=1S/C24H11F5N2O4S2/c25-15-9-16(26)18(31-37(34,35)12-3-1-11(10-30)2-4-12)8-13(15)19-5-6-20(36-19)23(32)14-7-17(27)22(29)24(33)21(14)28/h1-9,31,33H
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis

J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
BindingDB Entry DOI: 10.7270/Q27H1NX9
More data for this
Ligand-Target Pair